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CHEBI:158636 - Ile-Met-Phe

ChEBI IDCHEBI:158636
ChEBI NameIle-Met-Phe
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H31N3O4S
Net Charge0
Average Mass409.552
Monoisotopic Mass409.20353
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C20H31N3O4S/c1-4-13(2)17(21)19(25)22-15(10-11-28-3)18(24)23-16(20(26)27)12-14-8-6-5-7-9-14/h5-9,13,15-17H,4,10-12,21H2,1-3H3,(H,22,25)(H,23,24)(H,26,27)/t13-,15-,16-,17-/m0/s1
InChIKeyDNKDIDZHXZAGRY-HJWJTTGWSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ile-Met-Phe (CHEBI:158636) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylsulanylbutanoyl]amino]-3-phenylpropanoic acid